methyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
methyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate
Compound characteristics
Compound ID: | E135-0916 |
Compound Name: | methyl 2-{[5-(2H-1,3-benzodioxol-5-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carbonyl]amino}benzoate |
Molecular Weight: | 443.43 |
Molecular Formula: | C20 H17 N3 O7 S |
Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(Nc1ccccc1C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 2.6446 |
logD: | -0.543 |
logSw: | -3.3939 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.91 |
InChI Key: | BXWAOHFHCGZMGO-UHFFFAOYSA-N |